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904805

((S)-3-(3,5-Bis(trifluoromethyl)phenyl)-1-(2′-(3-(3,5-bis(trifluoromethyl)phenyl)ureido)-[1,1′-binaphthalen]-2-yl)-1-isopropylurea

≥95%, powder or crystals

Synonym(s):

Gouverneur fluorination catalyst

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About This Item

Empirical Formula (Hill Notation):
C41H28F12N4O2
CAS Number:
2227157-06-2
Molecular Weight:
836.67
MDL number:
MFCD32672252
UNSPSC Code:
12352101
NACRES:
NA.22
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Product Name

((S)-3-(3,5-Bis(trifluoromethyl)phenyl)-1-(2′-(3-(3,5-bis(trifluoromethyl)phenyl)ureido)-[1,1′-binaphthalen]-2-yl)-1-isopropylurea, ≥95%

assay

≥95%

form

powder or crystals

mp

144-160 °C

SMILES string

FC(F)(F)c1cc(cc(c1)C(F)(F)F)NC(=O)N(C(C)C)c2c(c6c(cc2)cccc6)c3c4c(ccc3NC(=O)Nc5cc(cc(c5)C(F)(F)F)C(F)(F)F)cccc4

InChI

1S/C41H28F12N4O2/c1-21(2)57(37(59)55-29-19-26(40(48,49)50)16-27(20-29)41(51,52)53)33-14-12-23-8-4-6-10-31(23)35(33)34-30-9-5-3-7-22(30)11-13-32(34)56-36(58)54-28-17-24(38(42,43)44)15-25(18-28)39(45,46)47/h3-21H,1-2H3,(H,55,59)(H2,54,56,58)

InChI key

VKRWLTPTRNIRGQ-UHFFFAOYSA-N

Application

((S)-3-(3,5-Bis(trifluoromethyl)phenyl)-1-(2′-(3-(3,5-bis(trifluoromethyl)phenyl)ureido)-[1,1′-binaphthalen]-2-yl)-1-isopropylurea is a hydrogen bonding phase-transfer catalyst capable of activating CsF for the asymmetric nucleophilic fluorination of sulfoniums.1

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Other Notes

Asymmetric nucleophilic fluorination under hydrogen bonding phase-transfer catalysis

Storage Class

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

Regulatory Information

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Gabriele Pupo et al.
Science (New York, N.Y.), 360(6389), 638-642 (2018-05-12)
Common anionic nucleophiles such as those derived from inorganic salts have not been used for enantioselective catalysis because of their insolubility. Here, we report that merging hydrogen bonding and phase-transfer catalysis provides an effective mode of activation for nucleophiles that